UCSF

ZINC37824485

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 18 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -1.80 0.53 -53.76 3 6 1 84 255.342 6
Hi High (pH 8-9.5) -1.80 0.2 -11.79 2 6 0 83 254.334 6
Mid Mid (pH 6-8) -1.80 2.79 -126.41 4 6 2 85 256.35 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )